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ENAMINE-ZINC01511824

 MMsINC code: MMs01242323
Type: Neutral
Formula: C10H5F3N4S
SMILES:   S(C(F)(F)F)c1ccc(NN=C(C#N)C#N)cc1
InChI:   InChI=1/C10H5F3N4S/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H

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Potential Energy
Epot(MMFF94)=73.1111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.238 g/mol  logS: -4.4529  SlogP: 3.53347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0106196  Sterimol/B1: 2.52068  Sterimol/B2: 2.63677  Sterimol/B3: 2.64036
  Sterimol/B4: 6.76775  Sterimol/L: 14.5578 
 
 Surface and Volume Properties
  Accessible surface: 451.258  Positive charged surface: 152.394  Negative charged surface: 298.863  Volume: 211.625
  Hydrophobic surface: 129.8  Hydrophilic surface: 321.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.